7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridine-2-carboxylic acid

C19H10N2O2S — CID 122582174

IUPAC7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridine-2-carboxylic acid
SMILESN#Cc1ccc(-c2cncc3cc(C(=O)O)sc23)c2ccccc12
InChIInChI=1S/C19H10N2O2S/c20-8-11-5-6-15(14-4-2-1-3-13(11)14)16-10-21-9-12-7-17(19(22)23)24-18(12)16/h1-7,9-10H,(H,22,23)
InChIKeyPGKXAWITOPWQRG-UHFFFAOYSA-N
MW330.37 g/mol
LogP4.69
Rot. Bonds2

About 7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridine-2-carboxylic acid

7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridine-2-carboxylic acid (PubChem CID 122582174) has the molecular formula C19H10N2O2S and a molecular weight of 330.37 g/mol. Its IUPAC name is 7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridine-2-carboxylic acid
PubChem CID122582174
Molecular FormulaC19H10N2O2S
Molecular Weight330.37 g/mol
Exact Mass330.05
IUPAC Name7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridine-2-carboxylic acid
SMILESN#Cc1ccc(-c2cncc3cc(C(=O)O)sc23)c2ccccc12
InChIInChI=1S/C19H10N2O2S/c20-8-11-5-6-15(14-4-2-1-3-13(11)14)16-10-21-9-12-7-17(19(22)23)24-18(12)16/h1-7,9-10H,(H,22,23)
InChIKeyPGKXAWITOPWQRG-UHFFFAOYSA-N
XLogP4.69
TPSA73.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Thieno[2,3-c]pyridine-2-carboxylic acid,4-[1,1'-biphenyl]-3-yl-
CID 25218750
2-Cyclopentyl-4-(5-phenylthieno[2,3-b]pyridin-3-yl)benzoic acid
CID 164627632
4-Phenylthieno[2,3-c]pyridine-2-carboxylic acid
CID 49830794
4-(3-Fluorophenyl)thieno[2,3-c]pyridine-2-carboxylic acid
CID 49830793
3-[[3-(4-Cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]benzoic acid
CID 118902137
2-[[3-(4-Cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]benzoic acid
CID 118902146
4-[[3-(4-Cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]benzoic acid
CID 118902148
3-[7-(4-Cyanonaphthalen-1-yl)thieno[3,2-c]pyridine-2-yl]-butyric Acid
CID 122582079
3-[7-(4-Cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]propionic acid
CID 122582081
3-[7-(4-Cyanophenyl)thieno[3,2-c]pyridin-2-yl]-2,2-dimethylpropionic Acid
CID 122582144
(3R)-3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]butanoic acid
CID 122582147
(3S)-3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]butanoic acid
CID 122582148

Frequently Asked Questions

What is the IUPAC name of 7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridine-2-carboxylic acid?
The IUPAC name of 7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridine-2-carboxylic acid (CID 122582174) is 7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridine-2-carboxylic acid.
What is the SMILES notation for 7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridine-2-carboxylic acid?
The canonical SMILES for 7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridine-2-carboxylic acid is N#Cc1ccc(-c2cncc3cc(C(=O)O)sc23)c2ccccc12.
What is the InChIKey of 7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridine-2-carboxylic acid?
The InChIKey is PGKXAWITOPWQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10N2O2S/c20-8-11-5-6-15(14-4-2-1-3-13(11)14)16-10-21-9-12-7-17(19(22)23)24-18(12)16/h1-7,9-10H,(H,22,23).
What are the key properties of 7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridine-2-carboxylic acid?
7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridine-2-carboxylic acid has a molecular weight of 330.37 g/mol, XLogP of 4.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridine-2-carboxylic acid is sourced from PubChem (CID 122582174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).